[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone

C24H18ClN3O3 — CID 121095297

IUPAC[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C24H18ClN3O3/c25-19-6-4-5-17(13-19)22-26-23(31-27-22)18-14-28(15-18)24(29)16-9-11-21(12-10-16)30-20-7-2-1-3-8-20/h1-13,18H,14-15H2
InChIKeyHKIQHDOBOJBYTC-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.42
Rot. Bonds5

About [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone

[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone (PubChem CID 121095297) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone
PubChem CID121095297
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C24H18ClN3O3/c25-19-6-4-5-17(13-19)22-26-23(31-27-22)18-14-28(15-18)24(29)16-9-11-21(12-10-16)30-20-7-2-1-3-8-20/h1-13,18H,14-15H2
InChIKeyHKIQHDOBOJBYTC-UHFFFAOYSA-N
XLogP5.42
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56764561
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
3-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]benzonitrile
CID 121095304
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121095225
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121095249
(3-chlorophenyl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095643
(2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095280
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 7201957
[(3R)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 7201958
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 121095144
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121093064

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone (CID 121095297) is [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is HKIQHDOBOJBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c25-19-6-4-5-17(13-19)22-26-23(31-27-22)18-14-28(15-18)24(29)16-9-11-21(12-10-16)30-20-7-2-1-3-8-20/h1-13,18H,14-15H2.
What are the key properties of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone?
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 431.88 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 121095297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).